N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide

C19H22N2O6S — CID 118652238

IUPACN-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H22N2O6S/c22-17-16(11-21-28(25,26)15-9-5-2-6-10-15)27-13-19(17,24)12-20-18(23)14-7-3-1-4-8-14/h1-10,16-17,21-22,24H,11-13H2,(H,20,23)/t16-,17-,19+/m1/s1
InChIKeyVBJVSMGVDAWIGK-LMMKCTJWSA-N
MW406.46 g/mol
LogP-0.11
Rot. Bonds7

About N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide

N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (PubChem CID 118652238) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
PubChem CID118652238
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H22N2O6S/c22-17-16(11-21-28(25,26)15-9-5-2-6-10-15)27-13-19(17,24)12-20-18(23)14-7-3-1-4-8-14/h1-10,16-17,21-22,24H,11-13H2,(H,20,23)/t16-,17-,19+/m1/s1
InChIKeyVBJVSMGVDAWIGK-LMMKCTJWSA-N
XLogP-0.11
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (CID 118652238) is N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is O=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The InChIKey is VBJVSMGVDAWIGK-LMMKCTJWSA-N. The full InChI is InChI=1S/C19H22N2O6S/c22-17-16(11-21-28(25,26)15-9-5-2-6-10-15)27-13-19(17,24)12-20-18(23)14-7-3-1-4-8-14/h1-10,16-17,21-22,24H,11-13H2,(H,20,23)/t16-,17-,19+/m1/s1.
What are the key properties of N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide has a molecular weight of 406.46 g/mol, XLogP of -0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 118652238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).